SCHEMBL8558731

SCHEMBL8558731

CCCc1nc(-c2ccc(F)cc2)c(-c2ccccc2S(N)(=O)=O)o1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 7/20 0.47
PTGS1 P23219 5/20 0.47
RXRA P19793 7/20 0.43
RXRB P28702 6/20 0.42
NR4A2 P43354 5/20 0.42
RXRG P48443 2/20 0.40
USP1 O94782 1/20 0.39
USP19 O94966 1/20 0.39
UCHL3 P15374 1/20 0.39
NR4A1 P22736 1/20 0.39
NR4A3 Q92570 1/20 0.39
TRPV1 Q8NER1 1/20 0.39
NPC1 O15118 1/20 0.38
HTT P42858 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8560798 0.91 NR4A2 (0.51) PTGS2PTGS1RXRARXRBNR4A2
SCHEMBL9025446 0.90 ALOX5 (0.47) PTGS2PTGS1RXRARXRBNR4A2
SCHEMBL8558402 0.89 PTGS2 (0.44) PTGS2PTGS1RXRARXRBNR4A2
SCHEMBL8558075 0.88 PTGS2 (0.43) PTGS2PTGS1RXRARXRBNR4A2
SCHEMBL8556142 0.86 PTGS2 (0.46) PTGS2PTGS1RXRARXRBNR4A2
SCHEMBL8558542 0.86 PTGS2 (0.43) PTGS2PTGS1RXRARXRBNR4A2
SCHEMBL8561129 0.84 PTGS2 (0.44) PTGS2PTGS1RXRARXRBNR4A2
SCHEMBL6308060 0.84 NR4A2 (0.52) PTGS2PTGS1RXRARXRBNR4A2
SCHEMBL9026925 0.83 RXRA (0.44) PTGS2PTGS1RXRARXRBNR4A2
SCHEMBL8560331 0.82 PTGS2 (0.67) PTGS2PTGS1USP1USP19UCHL3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5719163-A ARTHRITIS G.D. SEARLE & CO. (US) 1998-02-17 US disclosed